2-bromo-4-methylphenyl isothiocyanate

Modify Date: 2025-08-28 09:14:44

2-bromo-4-methylphenyl isothiocyanate Structure
2-bromo-4-methylphenyl isothiocyanate structure
 Common Name 2-bromo-4-methylphenyl isothiocyanate
CAS Number 19241-39-5 Molecular Weight 228.10900
Density 1.52 Boiling Point 120 °C
Molecular Formula C8H6BrNS Melting Point N/A
MSDS N/A Flash Point 119-120°C/0.5mm

 Names

Name 2-bromo-1-isothiocyanato-4-methylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.52
Boiling Point 120 °C
Molecular Formula C8H6BrNS
Molecular Weight 228.10900
Flash Point 119-120°C/0.5mm
Exact Mass 226.94000
PSA 44.45000
LogP 3.49180
Vapour Pressure 0.00146mmHg at 25°C
Index of Refraction 1.6680
InChIKey DQXSCOWMTPPFCJ-UHFFFAOYSA-N
SMILES Cc1ccc(N=C=S)c(Br)c1

 Safety Information

Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
RIDADR 2810
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

triethylamine (2-bromo-4-methylphenyl)carbamodithioate structure

triethylamine (...

CAS#:58655-25-7

~68%

2-bromo-4-methylphenyl isothiocyanate Structure

2-bromo-4-methy...

CAS#:19241-39-5

Literature: Jamir, Latonglila; Alimenla; Kumar, Anil; Sinha, Dipak; Sinha, Upasana B. Synthetic Communications, 2011 , vol. 41, # 1 p. 147 - 155
Thiophosgene structure

Thiophosgene

CAS#:463-71-8

2-Bromo-4-methylaniline hydrochloride structure

2-Bromo-4-methy...

CAS#:13194-71-3

~%

2-bromo-4-methylphenyl isothiocyanate Structure

2-bromo-4-methy...

CAS#:19241-39-5

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 11, # 7 p. 915 - 918
2-Bromo-p-toluidine structure

2-Bromo-p-toluidine

CAS#:583-68-6

~%

2-bromo-4-methylphenyl isothiocyanate Structure

2-bromo-4-methy...

CAS#:19241-39-5

Literature: Synthetic Communications, , vol. 41, # 1 p. 147 - 155
Thiophosgene structure

Thiophosgene

CAS#:463-71-8

2-Bromo-p-toluidine structure

2-Bromo-p-toluidine

CAS#:583-68-6

~%

2-bromo-4-methylphenyl isothiocyanate Structure

2-bromo-4-methy...

CAS#:19241-39-5

Literature: Perfumery and Essential Oil Record, vol. 19, p. 173 Chem. Zentralbl., , vol. 99, # II p. 2007

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

2-Brom-4-methyl-phenylisothiocyanat
2-Brom-4-methyl-phenylsenfoel
MFCD00041040
2-Bromo-4-methylphenyl isothiocyanate
OR3062
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